(2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide

C27H28N4O5S — CID 92665671

About (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide

(2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 92665671) has the molecular formula C27H28N4O5S and a molecular weight of 520.61 g/mol. Its IUPAC name is (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 92665671
• Molecular Formula: C27H28N4O5S
• Molecular Weight: 520.61 g/mol
• Exact Mass: 520.18
• IUPAC Name: (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1
• InChI: InChI=1S/C27H28N4O5S/c1-17(2)18-10-12-20(13-11-18)28-25(32)24(19-8-6-5-7-9-19)29-37(35,36)21-14-15-23-22(16-21)26(33)31(4)27(34)30(23)3/h5-17,24,29H,1-4H3,(H,28,32)/t24-/m0/s1
• InChIKey: UJJIVGXCKWWTGW-DEOSSOPVSA-N
• XLogP: 3.02
• TPSA: 119.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.61
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide (CID 92665671) is (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1.

What is the InChIKey of (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is UJJIVGXCKWWTGW-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H28N4O5S/c1-17(2)18-10-12-20(13-11-18)28-25(32)24(19-8-6-5-7-9-19)29-37(35,36)21-14-15-23-22(16-21)26(33)31(4)27(34)30(23)3/h5-17,24,29H,1-4H3,(H,28,32)/t24-/m0/s1.

What are the key properties of (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?

(2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 520.61 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 92665671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).